4-propan-2-yl-[1,3]thiazolo[5,4-b]indole

C12H12N2S — CID 153310438

IUPAC4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
SMILESCC(C)n1c2ccccc2c2ncsc21
InChIInChI=1S/C12H12N2S/c1-8(2)14-10-6-4-3-5-9(10)11-12(14)15-7-13-11/h3-8H,1-2H3
InChIKeyCTIUVLUQILFNJE-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.83
Rot. Bonds1

About 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole

4-propan-2-yl-[1,3]thiazolo[5,4-b]indole (PubChem CID 153310438) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole.

Molecular Properties

Compound Name4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
PubChem CID153310438
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-propan-2-yl-[1,3]thiazolo[5,4-b]indole
SMILESCC(C)n1c2ccccc2c2ncsc21
InChIInChI=1S/C12H12N2S/c1-8(2)14-10-6-4-3-5-9(10)11-12(14)15-7-13-11/h3-8H,1-2H3
InChIKeyCTIUVLUQILFNJE-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
The IUPAC name of 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole (CID 153310438) is 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole.
What is the SMILES notation for 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
The canonical SMILES for 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole is CC(C)n1c2ccccc2c2ncsc21.
What is the InChIKey of 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
The InChIKey is CTIUVLUQILFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-8(2)14-10-6-4-3-5-9(10)11-12(14)15-7-13-11/h3-8H,1-2H3.
What are the key properties of 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole?
4-propan-2-yl-[1,3]thiazolo[5,4-b]indole has a molecular weight of 216.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-[1,3]thiazolo[5,4-b]indole is sourced from PubChem (CID 153310438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).